SCHEMBL1827236

SCHEMBL1827236

O=S(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
EPHX2 P34913 1/20 0.43
KIF11 P52732 4/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
MGLL Q99685 1/20 0.43
SRD5A2 P31213 1/20 0.42
GSK3B P49841 2/20 0.41
CYP1A2 P05177 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
PLAU P00749 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30097988 0.98 CES2 (0.46) CES2CES1EPHX2KIF11ORAI1
SCHEMBL3300798 0.98 CES2 (0.46) CES2CES1EPHX2KIF11ORAI1
SCHEMBL1583590 0.98 CES2 (0.46) CES2CES1EPHX2KIF11ORAI1
Water SCHEMBL5129143 0.85 MMP2 (0.40) CES2CES1EPHX2KIF11ALDH1A1
Butylamine SCHEMBL28095649 0.81 TAAR1 (0.40) CES2CES1CYP1A2ALDH1A1
Tetrabuthylammonium SCHEMBL1826223 0.80 MEN1 (0.38) CES2CES1CYP1A2TSHR
SCHEMBL9153089 0.79 CA1 (0.36) ALDH1A1
SCHEMBL6128385 0.76 LMNA (0.48) EPHX2KIF11SRD5A2CYP1A2ALDH1A1
SCHEMBL12706153 0.76 CES2 (0.48) CES2
SCHEMBL11859127 0.76 CA1 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574038-B Preparation method of N-aryl sulfonamide derivative 安阳师范学院 2025-04-18 CN claimed
CN-117142916-B Preparation method of allyl sulfone compound 安徽金桐精细化学有限公司 2024-10-11 CN claimed
CN-117326998-A Preparation method of sulfinic acid-based thiosulfate in aqueous phase 阜阳师范大学 2024-01-02 CN claimed
CN-117142916-A Preparation method of allyl sulfone compound 安徽金桐精细化学有限公司 2023-12-01 CN claimed
CN-116574038-A Preparation method of N-aryl sulfonamide derivative 安阳师范学院 2023-08-11 CN claimed
CN-109183392-A Graphene denatured conductive cellulose fibre and its preparation method and application 青岛大学 2019-01-11 CN claimed
CN-109183393-A Graphene denatured conductive protein fibre and its preparation method and application 青岛大学 2019-01-11 CN claimed
CN-109162088-A Graphene denatured conductive synthetic fibers and its preparation method and application 青岛大学 2019-01-08 CN claimed
EP-1668039-B1 ARYLSULFINATE SALTS IN PHOTOINITIATOR SYSTEMS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES CO (US) 2012-12-05 EP claimed
CN-1859893-B Photoinitiators with triarylsulfonium ions and arylsulfinate ions 3M INNOVATIVE PROPERTIES CO 2011-05-25 CN claimed
US-7064152-B2 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-20 US claimed
EP-1668038-A1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M Innovative Properties Company (US) 2006-06-14 EP claimed
US-20060111462-A1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US claimed
US-7030169-B2 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-18 US claimed
US-7026367-B2 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-11 US claimed
WO-2005034885-A1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO claimed
WO-2005035590-A1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO claimed
US-20050070624-A1 Arylsulfinate salts in photoinitiator systems for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US claimed
US-20050070622-A1 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US claimed
US-20050070621-A1 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US claimed